6-chloro-1-[(2-methoxy-5-methylphenyl)methyl]indole

C17H16ClNO — CID 116620555

IUPAC6-chloro-1-[(2-methoxy-5-methylphenyl)methyl]indole
SMILESCOc1ccc(C)cc1Cn1ccc2ccc(Cl)cc21
InChIInChI=1S/C17H16ClNO/c1-12-3-6-17(20-2)14(9-12)11-19-8-7-13-4-5-15(18)10-16(13)19/h3-10H,11H2,1-2H3
InChIKeyLBPNKLXXRQLUHA-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.66
Rot. Bonds3

About 6-chloro-1-[(2-methoxy-5-methylphenyl)methyl]indole

6-chloro-1-[(2-methoxy-5-methylphenyl)methyl]indole (PubChem CID 116620555) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 6-chloro-1-[(2-methoxy-5-methylphenyl)methyl]indole.

Molecular Properties

Compound Name6-chloro-1-[(2-methoxy-5-methylphenyl)methyl]indole
PubChem CID116620555
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name6-chloro-1-[(2-methoxy-5-methylphenyl)methyl]indole
SMILESCOc1ccc(C)cc1Cn1ccc2ccc(Cl)cc21
InChIInChI=1S/C17H16ClNO/c1-12-3-6-17(20-2)14(9-12)11-19-8-7-13-4-5-15(18)10-16(13)19/h3-10H,11H2,1-2H3
InChIKeyLBPNKLXXRQLUHA-UHFFFAOYSA-N
XLogP4.66
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindole
CID 63852001
1-[(2-methoxy-5-methylphenyl)methyl]-4-methylindole
CID 116620241
6-chloro-1-[(2-methoxy-3-pyridinyl)methyl]indole
CID 116620449
1-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxylic acid
CID 114189469
1-[(4-chlorophenyl)methyl]-5,6-dimethoxyindole
CID 22256781
6-chloro-1-[2-(2-methoxyphenoxy)ethyl]indole
CID 116620601
1-[(2-chloro-4-methylphenyl)methyl]indol-6-amine
CID 106863378
6-bromo-1-[(2,5-dimethylphenyl)methyl]indole
CID 116621819
1-[(5-chloro-2-methoxyphenyl)methyl]-4,5-dimethylimidazole
CID 115624836
2-[(6-chloroindol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
CID 116620548
1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole
CID 106870004
6-chloro-1-[(3,4-difluorophenyl)methyl]indole
CID 116620611

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(2-methoxy-5-methylphenyl)methyl]indole?
The IUPAC name of 6-chloro-1-[(2-methoxy-5-methylphenyl)methyl]indole (CID 116620555) is 6-chloro-1-[(2-methoxy-5-methylphenyl)methyl]indole.
What is the SMILES notation for 6-chloro-1-[(2-methoxy-5-methylphenyl)methyl]indole?
The canonical SMILES for 6-chloro-1-[(2-methoxy-5-methylphenyl)methyl]indole is COc1ccc(C)cc1Cn1ccc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-[(2-methoxy-5-methylphenyl)methyl]indole?
The InChIKey is LBPNKLXXRQLUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-12-3-6-17(20-2)14(9-12)11-19-8-7-13-4-5-15(18)10-16(13)19/h3-10H,11H2,1-2H3.
What are the key properties of 6-chloro-1-[(2-methoxy-5-methylphenyl)methyl]indole?
6-chloro-1-[(2-methoxy-5-methylphenyl)methyl]indole has a molecular weight of 285.77 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(2-methoxy-5-methylphenyl)methyl]indole is sourced from PubChem (CID 116620555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).